Free Energy Peturbation Calculations on Parallel Computers: Demonstrations of Scalable Linear Speedup

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@article{DeBolt1994FreeEP, title={Free Energy Peturbation Calculations on Parallel Computers: Demonstrations of Scalable Linear Speedup}, author={Stephen E. DeBolt and David A. Pearlman and Peter A. Kollman}, journal={Journal of Computational Chemistry}, year={1994}, volume={15}, pages={351-374} }